(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)propanamide

C7H12N6O2S — CID 7704589

IUPAC(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)Sc1n[nH]c(N)n1
InChIInChI=1S/C7H12N6O2S/c1-3(4(14)10-6(15)9-2)16-7-11-5(8)12-13-7/h3H,1-2H3,(H3,8,11,12,13)(H2,9,10,14,15)/t3-/m1/s1
InChIKeyHGKQETGIIIKPRU-GSVOUGTGSA-N
MW244.28 g/mol
LogP-0.68
Rot. Bonds3

About (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)propanamide

(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)propanamide (PubChem CID 7704589) has the molecular formula C7H12N6O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)propanamide
PubChem CID7704589
Molecular FormulaC7H12N6O2S
Molecular Weight244.28 g/mol
Exact Mass244.07
IUPAC Name(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)Sc1n[nH]c(N)n1
InChIInChI=1S/C7H12N6O2S/c1-3(4(14)10-6(15)9-2)16-7-11-5(8)12-13-7/h3H,1-2H3,(H3,8,11,12,13)(H2,9,10,14,15)/t3-/m1/s1
InChIKeyHGKQETGIIIKPRU-GSVOUGTGSA-N
XLogP-0.68
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)propanamide (CID 7704589) is (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@@H](C)Sc1n[nH]c(N)n1.
What is the InChIKey of (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)propanamide?
The InChIKey is HGKQETGIIIKPRU-GSVOUGTGSA-N. The full InChI is InChI=1S/C7H12N6O2S/c1-3(4(14)10-6(15)9-2)16-7-11-5(8)12-13-7/h3H,1-2H3,(H3,8,11,12,13)(H2,9,10,14,15)/t3-/m1/s1.
What are the key properties of (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)propanamide?
(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)propanamide has a molecular weight of 244.28 g/mol, XLogP of -0.68, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 7704589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).